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Chemical structure of 5-trans U-44069

GC40337

5-trans U-44069

Also known as (E)-7-[(5S,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid

5-trans U-44069 is the C-5 double bond isomer of U-44069

ChemicalCAS330796-57-1MW350.5FormulaC21H34O4
CAS number
330796-57-1
Molecular weight
350.5
Formula
C21H34O4
Solubility
DMF： >100 mg/ml (from U–46619),DMSO： >100 mg/ml (from U–46619),Ethanol： >100 mg/ml (from U–46619),PBS pH 7·2： >2 mg/ml (from U–46619)
InChIKey
DJKDIKIDYDXHDD-YTQMDITASA-N
Catalogue number
GC40337
Brand
GLPBIO
Computed properties PubChem CID 91746438 · XLogP 3.9 · TPSA 66.8 Ų · H-bond donors 2
XLogP
3.9
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@@H]1[C@H](C2CC1CO2)C/C=C/CCCC(=O)O)O

Computed descriptors from PubChem (CID 91746438), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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